SCHEMBL4370715

SCHEMBL4370715

CC(C)n1cnc2c(NC3CCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)CC3)nc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)CC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.43
▸ CCNA2 P20248 6/20 0.43
▸ CCNE1 P24864 6/20 0.43
▸ CCNE2 O96020 5/20 0.43
▸ CCNA1 P78396 5/20 0.43
▸ EGFR P00533 4/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ MERTK Q12866 1/20 0.41
▸ FLT3 P36888 1/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ CDK5R1 Q15078 2/20 0.39
▸ CCNB1 P14635 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4370049 0.89 FLT3 (0.51) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4370047 0.89 FLT3 (0.51) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4381174 0.88 CDK2 (0.44) CDK2CCNA2CCNE1CCNE2MERTK
SCHEMBL4381176 0.88 CDK2 (0.44) CDK2CCNA2CCNE1CCNE2MERTK
SCHEMBL5199577 0.79 CYP1A2 (0.56) CYP1A2CYP2D6
SCHEMBL4372901 0.79 CDK2 (0.54) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4372906 0.79 CDK2 (0.54) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4375080 0.78 CDK2 (0.56) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4377640 0.78 CDK2 (0.56) CDK2CCNA2CCNE1CCNE2CCNA1
SCHEMBL4373952 0.76 CDK2 (0.49) CDK2CCNA2CCNE1CCNE2CCNA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 — — EP disclosed
US-7429595-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2008-09-30 — — US disclosed
US-6861524-B2 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. (US) 2005-03-01 — — US disclosed
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTIS PHARMACEUTICALS INC. 2004-12-09 — — US disclosed
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents AVENTISUB LLC 2003-04-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069259-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents BAD, BAX, MCL1 CDK2 167/4885CCNA2 233/4885CCNE1 1465/4885
US-20040248908-A1 Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents TYMP, TK1, SLC29A1 CDK2 68/4885CCNA2 57/4885CCNE1 314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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